3-azanyl-N-[[5-oxidanylidene-1-[4-(2-oxidanylidenepyridin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-7-carboxamide

Systemtic Name: 3-azanyl-N-[[5-oxidanylidene-1-[4-(2-oxidanylidenepyridin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-7-carboxamide Openeye Name: 3-amino-N-[[5-oxo-1-[4-(2-oxo-1-pyridyl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-7-carboxamide CAS Name: 3-amino-N-[[5-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]-3-pyrrolidinyl]methyl]-7-isoquinolinecarboxamide IUPAC Name: 3-amino-N-[[5-oxo-1-[4-(2-oxopyridin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-7-carboxamide Traditional Name: 3-amino-N-[[5-keto-1-[4-(2-keto-1-pyridyl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-7-carboxamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)N3C=CC=CC3=O)CNC(=O)C4=CC5=CN=C(C=C5C=C4)N

Isomeric SMILES

C1C(CN(C1=O)C2=CC=C(C=C2)N3C=CC=CC3=O)CNC(=O)C4=CC5=CN=C(C=C5C=C4)N

InChI

InChI=1S/C26H23N5O3/c27-23-13-18-4-5-19(12-20(18)15-28-23)26(34)29-14-17-11-25(33)31(16-17)22-8-6-21(7-9-22)30-10-2-1-3-24(30)32/h1-10,12-13,15,17H,11,14,16H2,(H2,27,28)(H,29,34)